 Etot  =    -8563.360285
 Ekin  =     8559.301423
 Ecoul =     3351.833535
 Eenuc =   -20278.178413
 Exc   =     -196.316831
 1s      -1406.148284
 2s       -218.684842
 2p       -206.925148
 3s        -47.035283
 3p        -41.938282
 3d        -32.412569
 4s         -9.432744
 4p         -7.532106
 4d         -4.192548
 4f         -0.337442
 5s         -1.369728
 5p         -0.850110
 5d         -0.140550
 6s         -0.133974
